methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate

C20H30N2O4 — CID 56971072

IUPACmethyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate
SMILESC=C(NC(=O)/C(C)=C/C=C\CCCCCCC)C(=O)NC(=C)C(=O)OC
InChIInChI=1S/C20H30N2O4/c1-6-7-8-9-10-11-12-13-14-15(2)18(23)21-16(3)19(24)22-17(4)20(25)26-5/h12-14H,3-4,6-11H2,1-2,5H3,(H,21,23)(H,22,24)/b13-12-,15-14+
InChIKeySFKWFBHMEPIEDY-FSALDASDSA-N
MW362.47 g/mol
LogP3.28
Rot. Bonds12

About methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate

methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate (PubChem CID 56971072) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate
PubChem CID56971072
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Namemethyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate
SMILESC=C(NC(=O)/C(C)=C/C=C\CCCCCCC)C(=O)NC(=C)C(=O)OC
InChIInChI=1S/C20H30N2O4/c1-6-7-8-9-10-11-12-13-14-15(2)18(23)21-16(3)19(24)22-17(4)20(25)26-5/h12-14H,3-4,6-11H2,1-2,5H3,(H,21,23)(H,22,24)/b13-12-,15-14+
InChIKeySFKWFBHMEPIEDY-FSALDASDSA-N
XLogP3.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate with MolForge

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Related Compounds

methyl 3-methoxy-2-[2-(2-methyldodeca-2,4-dienoylamino)prop-2-enoylamino]prop-2-enoate
CID 72777258
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[[(2E,4E)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]propanoate
CID 25193368
(2E,4E)-2-methylpentadeca-2,4-dienamide
CID 169003282
(2E,4E)-2-methylheptacosa-2,4-dienamide
CID 169003266
2-methyldodeca-2,4-dienamide
CID 168877598
2-methylpentadeca-2,4-dienamide
CID 168877600
2-methyltrideca-2,4-dienamide
CID 154353968
methyl 2-prop-1-enyltrideca-2,4-dienoate
CID 175883901
methyl (Z)-2-methylideneoctadec-9-enoate
CID 88735590
2-methyl-N-tetracosa-1,3-dienylprop-2-enamide
CID 163255501
(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide
CID 169003273
N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide
CID 163255517

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate?
The IUPAC name of methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate (CID 56971072) is methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate.
What is the SMILES notation for methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate?
The canonical SMILES for methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate is C=C(NC(=O)/C(C)=C/C=C\CCCCCCC)C(=O)NC(=C)C(=O)OC.
What is the InChIKey of methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate?
The InChIKey is SFKWFBHMEPIEDY-FSALDASDSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-6-7-8-9-10-11-12-13-14-15(2)18(23)21-16(3)19(24)22-17(4)20(25)26-5/h12-14H,3-4,6-11H2,1-2,5H3,(H,21,23)(H,22,24)/b13-12-,15-14+.
What are the key properties of methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate?
methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate has a molecular weight of 362.47 g/mol, XLogP of 3.28, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[(2E,4Z)-2-methyldodeca-2,4-dienoyl]amino]prop-2-enoylamino]prop-2-enoate is sourced from PubChem (CID 56971072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).